4075-3284 Screening compound: 4-(ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid

4075-3284 Screening compound: 4-(ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid
4075-3284 Screening compound: 4-(ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4075-3284
4-(ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4075-3284

Molecular Formula

C21H28N2O4S (C21 H28 N2 O4 S)

Compound Name

4-(ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid

IUPAC name

4-(ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-13-thiazol-4-yl}octanoic acid

SMILES

CCCCC(CCC(O)=O)(C(OCC)=O)c1csc(Nc2ccc(C)cc2)n1

InChI

InChI=1S/C21H28N2O4S/c1-4-6-12-21(13-11-18(24)25,19(26)27-5-2)17-14-28-20(23-17)22-16-9-7-15(3)8-10-16/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,23)(H,24,25)/t21-/m1/s1

InChI Key

TUIOYHLVYKFMEQ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD00474713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.868

Distribution Coefficient, logD

2.916

Water Solubility, LogSw

-5.13

Polar Surface Area

68.335

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

4075-3284 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4075-3284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4075-3284?
Check Price and Availability of 4075-3284, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4075-3284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4075-3284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4075-3284
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4075-3284 available by request